ethyl (6S)-3-ethyl-4-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[(4-ethylsulfonyl-1-piperazin-1-iumyl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-[(4-ethylsulfonylpiperazin-1-ium-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-[(4-esylpiperazin-1-ium-1-yl)methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H33N4O5S+ MolecularWeight: 465.58622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C22H32N4O5S/c1-4-26-18(16-24-12-14-25(15-13-24)32(29,30)6-3)19(21(27)31-5-2)20(23-22(26)28)17-10-8-7-9-11-17/h7-11,20H,4-6,12-16H2,1-3H3,(H,23,28)/p+1/t20-/m0/s1